Hi Edward, I'll give it a try. It doesn't seem like it should be too hard. I planned on calling the function intensity_nlinls() -- the peak list is from the NMRPipe suite, but the peak list reading procedure will be specific for the nlinLS-type peak list (different vs. a normal NMRDraw/ NMRPipe peak list).
I will need help on how to submit changes, etc. using svn. Doug On Jul 20, 2009, at 7:05 AM, Edward d'Auvergne wrote: > Hi, > > Thanks to the work of Sebastian Morin, the reading of nmrView peak > lists has been added. However peak lists from nmrDraw is not yet > supported. CCPN might be able to convert this to XEasy, Sparky, or > nmrView format. I will also be adding support for a generic formatted > file (where all data is in columns), so maybe this will help. All the > new code is available in the 1.3 line which you can check out from the > repository. This procedure is described at > https://mail.gna.org/public/relax-users/2009-02/msg00020.html. > > As for directly supporting this format, at the moment I have too much > on my plate to add this support. But I would be interested in adding > this, so submitting a support request > (https://gna.org/support/?func=additem&group=relax) with example peak > list files attached would be very useful for implementation. The more > information given, the better. You can also try yourself, if you > like, by modifying the generic_fns/spectrum.py in the most up to date > 1.3 line code (typing 'svn up' keeps it up to date). It just needs a > function called intensity_nmrdraw() added (or intensity_nmrpipe()) > which does all the work of reading the data out of the file. The > following can be used as examples to mimic: intensity_generic(); > intensity_nmrview(); intensity_sparky(); intensity_xeasy(). If you > would like to give it a try (it really doesn't matter what happens), > then questions and the basic design can be discussed on the > relax-devel mailing list. > > Regards, > > Edward > > > > On Sat, Jul 18, 2009 at 3:57 PM, Douglas > Kojetin<[email protected]> wrote: >> Hi All, >> >> Does relax accept input data from nmrpipe peak lists and, more >> specifically, using the nlinls example provided with the nmrpipe >> package? If not, are there a set of scripts or procedures someone >> can >> point me to that imports xeasy or nmrview data, so I can copy-and- >> modify these accordingly for nmrpipe/nlinls (which I could contribute >> to the relax package)? >> >> Thanks, >> >> Doug >> >> _______________________________________________ >> relax (http://nmr-relax.com) >> >> This is the relax-users mailing list >> [email protected] >> >> To unsubscribe from this list, get a password >> reminder, or change your subscription options, >> visit the list information page at >> https://mail.gna.org/listinfo/relax-users >> _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
